4-methoxy-N-methyl-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]butanamide

C18H29N3O2 — CID 51102733

IUPAC4-methoxy-N-methyl-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]butanamide
SMILESCOCCCC(=O)N(C)C1CCN(CCc2ccncc2)CC1
InChIInChI=1S/C18H29N3O2/c1-20(18(22)4-3-15-23-2)17-8-13-21(14-9-17)12-7-16-5-10-19-11-6-16/h5-6,10-11,17H,3-4,7-9,12-15H2,1-2H3
InChIKeySWOMOBCVPDUKMU-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.97
Rot. Bonds8

About 4-methoxy-N-methyl-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]butanamide

4-methoxy-N-methyl-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]butanamide (PubChem CID 51102733) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]butanamide
PubChem CID51102733
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name4-methoxy-N-methyl-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]butanamide
SMILESCOCCCC(=O)N(C)C1CCN(CCc2ccncc2)CC1
InChIInChI=1S/C18H29N3O2/c1-20(18(22)4-3-15-23-2)17-8-13-21(14-9-17)12-7-16-5-10-19-11-6-16/h5-6,10-11,17H,3-4,7-9,12-15H2,1-2H3
InChIKeySWOMOBCVPDUKMU-UHFFFAOYSA-N
XLogP1.97
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]butanamide
CID 119868618
N,4-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pentanamide
CID 60605546
N-(1,1-dioxothian-4-yl)-N-methyl-3-pyridin-4-ylpropanamide
CID 118780482
5-N-methyl-5-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]pyridine-2,5-dicarboxamide
CID 166205316
1-(2-pyridin-4-ylethyl)piperidin-4-ol
CID 60648084
4-methoxy-N-methyl-N-(4-propan-2-ylcyclohexyl)butanamide
CID 58394583
N-[(2R)-1-methoxypropan-2-yl]-1-(2-pyridin-4-ylethyl)piperidin-4-amine
CID 97231228
N-(2-methoxyethyl)-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]pyridine-3-carboxamide
CID 24732014
2-tert-butylsulfanyl-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 60605574
1,3-dimethyl-1-[1-(2-phenylethyl)piperidin-4-yl]urea
CID 91557912
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 45230724
1-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 96577310

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]butanamide?
The IUPAC name of 4-methoxy-N-methyl-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]butanamide (CID 51102733) is 4-methoxy-N-methyl-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]butanamide.
What is the SMILES notation for 4-methoxy-N-methyl-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]butanamide?
The canonical SMILES for 4-methoxy-N-methyl-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]butanamide is COCCCC(=O)N(C)C1CCN(CCc2ccncc2)CC1.
What is the InChIKey of 4-methoxy-N-methyl-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]butanamide?
The InChIKey is SWOMOBCVPDUKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-20(18(22)4-3-15-23-2)17-8-13-21(14-9-17)12-7-16-5-10-19-11-6-16/h5-6,10-11,17H,3-4,7-9,12-15H2,1-2H3.
What are the key properties of 4-methoxy-N-methyl-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]butanamide?
4-methoxy-N-methyl-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]butanamide has a molecular weight of 319.45 g/mol, XLogP of 1.97, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 51102733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).